UCSF

ZINC13549743

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 24 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.82 5.85 -10.72 2 5 0 75 360.822 3
Ref Reference (pH 7) 4.82 5.44 -10.31 2 5 0 75 360.822 3
Ref Reference (pH 7) 4.33 5.34 -43.05 1 5 -1 74 359.814 4
Hi High (pH 8-9.5) 5.27 3.41 -47.18 1 5 -1 78 359.814 3
Hi High (pH 8-9.5) 5.27 5.02 -97.32 0 5 -2 81 358.806 3
Hi High (pH 8-9.5) 5.27 4.33 -97.33 0 5 -2 81 358.806 3
Hi High (pH 8-9.5) 4.33 6.25 -94.47 0 5 -2 76 358.806 4
Hi High (pH 8-9.5) 4.82 6.77 -43.64 1 5 -1 78 359.814 3
Hi High (pH 8-9.5) 5.27 4.1 -46.34 1 5 -1 78 359.814 3
Hi High (pH 8-9.5) 4.82 6.35 -42.98 1 5 -1 78 359.814 3
Mid Mid (pH 6-8) 4.33 5.81 -15.33 2 5 0 71 360.822 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )